(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide

C18H26N4O3 — CID 95284417

IUPAC(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCc3ccco3)CCO2)n1
InChIInChI=1S/C18H26N4O3/c1-13-9-14(2)22(20-13)12-17-11-21(6-8-25-17)15(3)18(23)19-10-16-5-4-7-24-16/h4-5,7,9,15,17H,6,8,10-12H2,1-3H3,(H,19,23)/t15-,17-/m0/s1
InChIKeyQYDYHFKTXJRXFU-RDJZCZTQSA-N
MW346.43 g/mol
LogP1.50
Rot. Bonds6

About (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 95284417) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID95284417
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCc3ccco3)CCO2)n1
InChIInChI=1S/C18H26N4O3/c1-13-9-14(2)22(20-13)12-17-11-21(6-8-25-17)15(3)18(23)19-10-16-5-4-7-24-16/h4-5,7,9,15,17H,6,8,10-12H2,1-3H3,(H,19,23)/t15-,17-/m0/s1
InChIKeyQYDYHFKTXJRXFU-RDJZCZTQSA-N
XLogP1.50
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95274096
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide
CID 98765728
N-(furan-2-ylmethyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide
CID 4994379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 95284417) is (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide is Cc1cc(C)n(C[C@@H]2CN([C@@H](C)C(=O)NCc3ccco3)CCO2)n1.
What is the InChIKey of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QYDYHFKTXJRXFU-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-9-14(2)22(20-13)12-17-11-21(6-8-25-17)15(3)18(23)19-10-16-5-4-7-24-16/h4-5,7,9,15,17H,6,8,10-12H2,1-3H3,(H,19,23)/t15-,17-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide?
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 95284417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).